Sugi Predict

Sugi Predict / Compounds / SCHEMBL5774430

SCHEMBL5774430

SCHEMBL5774430

COC(=O)c1nc(-c2ccccc2)ncc1NC(=O)OCc1cc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.40
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ ACLY P53396 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TACR3 P29371 1/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ AGPAT2 O15120 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ SGK1 O00141 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5777269 0.92 MAOB (0.41) MAOBFFAR1FFAR4ADAMTS4MGLL
SCHEMBL5775678 0.88 MGLL (0.43) MAOBFFAR1FFAR4MAPTLMNA
SCHEMBL5776630 0.85 MAOB (0.40) MAOBFFAR1FFAR4ADAMTS4MGLL
SCHEMBL5774651 0.84 MAOB (0.37) MAOBFFAR1FFAR4
SCHEMBL6162827 0.83 MAOB (0.43) MAOBFFAR1FFAR4ALDH1A1SMN1; SMN2
SCHEMBL5775682 0.81 MGLL (0.41) MAOBFFAR1FFAR4MAPTLMNA
SCHEMBL6163895 0.79 MGLL (0.45) FFAR1FFAR4MAPTLMNAMGLL
SCHEMBL6163345 0.78 CA12 (0.46) MAOBFFAR1FFAR4MGLLNPC1
SCHEMBL6164397 0.78 PTPN1 (0.50) MAOBFFAR1FFAR4ACLYALDH1A1
SCHEMBL5778231 0.77 MAOB (0.36) MAOBFFAR1FFAR4L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368345-B1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-03-22 — — EP disclosed
EP-1368345-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-10 — — EP disclosed
US-6569860-B2 Alkoxycarbonylamino-heteroaryl carboxylic acid derivatives useful for treating the disorders of the urinary tract, pain, inflammation, respiratory states, edema formation, hypotensive vascular diseases, pain and allergies ROćHE PALO ALTO LLC 2003-05-27 — — US disclosed
US-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists SYNTEX (USA) LLC 2002-11-14 — — US disclosed
WO-2002070514-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists GPBAR1, GCGR, CNR1 MAOB 2160/4885FFAR1 12/4885FFAR4 66/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.